Geometry & MOs

Info

ID:	140854
PubChem CID:	52770664
Reduced:	OSN4H18C24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	409.01516
ΔH_f, kcal/mol:	103.76
Dipole, Da:	7.55
IP(EA), eV:	-9.19(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-imidazol-1-ylphenyl)methyl]-2-(2,4,5-trichlorophenoxy)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations